Geometry & MOs

Info

ID:	182215
PubChem CID:	76861675
Reduced:	O3N5H25C28 (1)
Stoich.:	A3B5C25D28 (1)
Weight, g/mol:	474.186732
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	5.03
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-7-methyl-3H-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations